1-piperidin-4-yl-2-pyridin-3-ylethanone

C12H16N2O — CID 83687076

IUPAC1-piperidin-4-yl-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)C1CCNCC1
InChIInChI=1S/C12H16N2O/c15-12(11-3-6-13-7-4-11)8-10-2-1-5-14-9-10/h1-2,5,9,11,13H,3-4,6-8H2
InChIKeyQAJBDWVHFCDPGF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.19
Rot. Bonds3

About 1-piperidin-4-yl-2-pyridin-3-ylethanone

1-piperidin-4-yl-2-pyridin-3-ylethanone (PubChem CID 83687076) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-piperidin-4-yl-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-piperidin-4-yl-2-pyridin-3-ylethanone
PubChem CID83687076
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-piperidin-4-yl-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)C1CCNCC1
InChIInChI=1S/C12H16N2O/c15-12(11-3-6-13-7-4-11)8-10-2-1-5-14-9-10/h1-2,5,9,11,13H,3-4,6-8H2
InChIKeyQAJBDWVHFCDPGF-UHFFFAOYSA-N
XLogP1.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
CID 22248581
1-(3-bicyclo[3.1.0]hexanyl)-2-pyridin-3-ylethanone
CID 115799097
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
N-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylacetamide
CID 79715380
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
CID 116564776
N-(2-piperidin-4-yloxyethyl)-2-pyridin-3-ylacetamide
CID 63871778
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
CID 66868100
CID 66868100

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2-pyridin-3-ylethanone?
The IUPAC name of 1-piperidin-4-yl-2-pyridin-3-ylethanone (CID 83687076) is 1-piperidin-4-yl-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-piperidin-4-yl-2-pyridin-3-ylethanone?
The canonical SMILES for 1-piperidin-4-yl-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-2-pyridin-3-ylethanone?
The InChIKey is QAJBDWVHFCDPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-3-6-13-7-4-11)8-10-2-1-5-14-9-10/h1-2,5,9,11,13H,3-4,6-8H2.
What are the key properties of 1-piperidin-4-yl-2-pyridin-3-ylethanone?
1-piperidin-4-yl-2-pyridin-3-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2-pyridin-3-ylethanone is sourced from PubChem (CID 83687076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).